Geometry & MOs

Info

ID:	77541
PubChem CID:	49655270
Reduced:	SO2N3C15H19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	378.180424
ΔH_f, kcal/mol:	-38.22
Dipole, Da:	6.74
IP(EA), eV:	-8.82(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzylpiperidin-4-yl)-N'-(2H-pyrazolo[3,4-b]pyridin-3-yl)oxamide

Drug info:

PubChemData

Smile

CC(C)NC1=NC(=CS1)C(=O)NCC2=CC=CC=C2OC

DOS

IR

Vibrations